5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine

C13H20ClN3O — CID 82760303

IUPAC5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
SMILESCCC1(CC)CC(Nc2ncc(Cl)cn2)CCO1
InChIInChI=1S/C13H20ClN3O/c1-3-13(4-2)7-11(5-6-18-13)17-12-15-8-10(14)9-16-12/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyUNRNNSDDSLOPRN-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.28
Rot. Bonds4

About 5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine

5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine (PubChem CID 82760303) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
PubChem CID82760303
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine
SMILESCCC1(CC)CC(Nc2ncc(Cl)cn2)CCO1
InChIInChI=1S/C13H20ClN3O/c1-3-13(4-2)7-11(5-6-18-13)17-12-15-8-10(14)9-16-12/h8-9,11H,3-7H2,1-2H3,(H,15,16,17)
InChIKeyUNRNNSDDSLOPRN-UHFFFAOYSA-N
XLogP3.28
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine (CID 82760303) is 5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine is CCC1(CC)CC(Nc2ncc(Cl)cn2)CCO1.
What is the InChIKey of 5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine?
The InChIKey is UNRNNSDDSLOPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-13(4-2)7-11(5-6-18-13)17-12-15-8-10(14)9-16-12/h8-9,11H,3-7H2,1-2H3,(H,15,16,17).
What are the key properties of 5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine?
5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine has a molecular weight of 269.78 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,2-diethyloxan-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 82760303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).